2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H27ClN4O — CID 114658260

IUPAC2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1c(Cl)cnn1CCN(C)C)C1(C)CCCO1
InChIInChI=1S/C15H27ClN4O/c1-5-17-14(15(2)7-6-10-21-15)13-12(16)11-18-20(13)9-8-19(3)4/h11,14,17H,5-10H2,1-4H3
InChIKeyDARJWZDYIVKKSM-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.32
Rot. Bonds7

About 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114658260) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114658260
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1c(Cl)cnn1CCN(C)C)C1(C)CCCO1
InChIInChI=1S/C15H27ClN4O/c1-5-17-14(15(2)7-6-10-21-15)13-12(16)11-18-20(13)9-8-19(3)4/h11,14,17H,5-10H2,1-4H3
InChIKeyDARJWZDYIVKKSM-UHFFFAOYSA-N
XLogP2.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114658243
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658245
N-[(4-bromo-1-methylpyrazol-5-yl)-(2-methyloxolan-2-yl)methyl]ethanamine
CID 114658262
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
2-[4-chloro-5-[ethylamino-(1-methylpyrazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114654433
2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
2-[4-chloro-5-[1,4-dithian-2-yl(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658049
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657422

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114658260) is 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1c(Cl)cnn1CCN(C)C)C1(C)CCCO1.
What is the InChIKey of 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DARJWZDYIVKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-5-17-14(15(2)7-6-10-21-15)13-12(16)11-18-20(13)9-8-19(3)4/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 314.86 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114658260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).